4-Methylumbelliferyl α-D-mannopyranoside

C16H18O8CAS 28541-83-5338.31 g/mol

Open in Covalent MOL file
OOOOHOHOOHOH
AcetalAlcoholEther

Properties

Molecular formula
C16H18O8
Molar mass
338.31 g/mol
Exact mass
338.1002 Da
logP
-0.72Crippen estimate
Polar surface area
129.6 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
3
Stereocentres
R, R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
28541-83-5
SMILES
Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12
InChIKey
YUDPTGPSBJVHCN-VMMWWAARSA-N
InChI
InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15+,16+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 2H-1-Benzopyran-2-one, 7-(α-D-mannopyranosyloxy)-4-methyl-
  • Mannopyranoside, 4-methyl-2-oxo-2H-1-benzopyran-7-yl, α-D-
  • 7-(α-D-Mannopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one
  • 4-Methylumbelliferyl α-D-mannoside
  • 4′-Methylumbelliferyl α-D-mannopyranoside
  • 4-Methylumbelliferyl α-mannopyranoside

Work with 4-Methylumbelliferyl α-D-mannopyranoside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Methylumbelliferyl β-D-galactopyranoside6160-78-7Diastereomer 4-Methylumbelliferyl β-D-glucopyranoside18997-57-4Diastereomer 4-Methylumbelliferyl α-D-glucopyranoside17833-43-1Diastereomer 4-Methylumbelliferyl α-D-galactopyranoside38597-12-5Diastereomer

Similar compounds

4-Methylumbelliferyl β-cellobioside72626-61-089 % similar 4-Methylumbelliferyl N-acetyl-β-D-galactosaminide36476-29-673 % similar 4-Methylumbelliferyl 2-acetamido-2-deoxy-β-D-glucopyranoside37067-30-473 % similar 4-Methylumbelliferyl α-L-fucopyranoside54322-38-273 % similar Skimmin93-39-069 % similar 4-Methylumbelliferyl beta-D-glucuronide6160-80-168 % similar 4-Methylumbelliferyl β-D-xyloside6734-33-466 % similar 4-Methylumbelliferyl α-L-arabinopyranoside69414-26-266 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook